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Chemical ID: 5426002
Chemical ID:
5426002
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C18H15FN2OS/c1-12-6-8-13(9-7-12)17(22)21-18-20-11-15(23-18)10-14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,7,4,6,16,13,2,5,17,14,22,8,11,23,12,10,9,15/E:(6,7)(8,9)/rA:23nCCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50703 |
Area: | 526.339 |
Solvation: | -3.65145 |
Coulombic: | -32.0779 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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